LKR
Summary
| Name: | 3,7-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one |
| Synonyms: | Robinetin |
| Formula: | C15 H10 O7 |
| Formal charge: | 0 |
| Formula weight: | 302.236 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3,7-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H10O7/c16-7-1-2-8-11(5-7)22-15(14(21)12(8)19)6-3-9(17)13(20)10(18)4-6/h1-5,16-18,20-21H |
| InChIKey | InChI | 1.06 | SOEDEYVDCDYMMH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc2C(=O)C(=C(Oc2c1)c3cc(O)c(O)c(O)c3)O |
| SMILES | CACTVS | 3.385 | Oc1ccc2C(=O)C(=C(Oc2c1)c3cc(O)c(O)c(O)c3)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1O)OC(=C(C2=O)O)c3cc(c(c(c3)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1O)OC(=C(C2=O)O)c3cc(c(c(c3)O)O)O |
